Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4837088 | 0.82 | PARP1 (0.58) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL29527726 | 0.82 | PARP1 (0.58) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL412396 | 0.82 | PARP1 (0.58) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL9463175 | 0.75 | KDM4E (0.57) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL7915675 | 0.74 | ALDH1A1 (0.60) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL10662269 | 0.74 | CDC25B (0.57) | KDM4ERAB9AMAPTHPGDTDP1 | |
| SCHEMBL27899528 | 0.74 | KDM4E (0.58) | KDM4ECYP3A4NPC1CYP1A2RAB9A | |
| SCHEMBL11632357 | 0.74 | HPGD (0.49) | TSHRKDM4ECYP3A4CYP1A2RAB9A | |
| SCHEMBL28880428 | 0.74 | TSHR (0.69) | TSHRKDM4ECYP3A4NPC1CYP1A2 | |
| SCHEMBL9074046 | 0.74 | GAA (0.53) | KDM4ERAB9AGAAMAPTPOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124442-B | Monosaccharide derivatization reagent, preparation method thereof and mass spectrometry imaging method of monosaccharide isomer | 山东省分析测试中心 | 2024-02-06 | — | — | CN | disclosed |